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4-Trifluoromethyl-1-phenylvinylboronic acid pinacol ester

4-Trifluoromethyl-1-phenylvinylboronic acid pinacol ester

Name: 4-Trifluoromethyl-1-phenylvinylboronic acid pinacol ester
Brand: BOC Sciences
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Molecular Formula:

C15H18BF3O2

Molecular Weight:

298.11

Product Information

Molecular Formula:

C15H18BF3O2

Molecular Weight:

298.11

Description

Common reaction partner for palladium-catalyzed carbon-carbon cross coupling formation (Suzuki Reaction).

Synonyms

4,4,5,5-Tetramethyl-2-(1-(4-(trifluoromethyl)phenyl)vinyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-{1-[4-(trifluoromethyl)phenyl]ethenyl}-1,3,2-dioxaborolane; 4-Trifluoromethyl-1-phenylvinylboronicacidpinacolester; 4-Trifluoromethyl-1-phenylvinylboronic acid pinacol ester, 97%; 1-(4-(TRIFLUOROMETHYL)PHENYL)VINYLBORONIC ACID PINACOL ESTER; 4,4,5,5-tetramethyl-2-{1-[4-(trifluoromethyl)-phenyl]ethenyl}-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H18BF3O2/c1-10(16-20-13(2,3)14(4,5)21-16)11-6-8-12(9-7-11)15(17,18)19/h6-9H,1H2,2-5H3

InChI Key

NGEPDYSRKLLXMJ-UHFFFAOYSA-N

Melting Point

47-53 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

298.1351945 g/mol

Monoisotopic Mass

298.1351945 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

394

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-Trifluoromethyl-1-phenylvinylboronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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